X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fgeomout.F;h=8357bdbab2ad910146b49fcde30949ae29a0a15c;hb=39bffec2e960cdaa362c075425c0aa94bbd673c9;hp=2c143b7c9e102c154eeabeb261fc18e00047891e;hpb=036e8e1e671a1293c1f636d9246e3dfd74f38ec1;p=unres.git diff --git a/source/unres/src_MD/geomout.F b/source/unres/src_MD/geomout.F index 2c143b7..8357bdb 100644 --- a/source/unres/src_MD/geomout.F +++ b/source/unres/src_MD/geomout.F @@ -110,7 +110,8 @@ cmodel write (iunit,'(a5,i6)') 'MODEL',1 write (iunit,30) ica(nct),ica(nct)+1 endif do i=1,nss - write (iunit,30) ica(ihpb(i)-nres)+1,ica(jhpb(i)-nres)+1 +c trzeba uporzdkowac +c write (iunit,30) ica(ihpb(i))+1,ica(jhpb(i))+1 enddo write (iunit,'(a6)') 'ENDMDL' 10 FORMAT ('ATOM',I7,' CA ',A3,I6,4X,3F8.3,f15.3)